[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: Comparing energy terms



HEllo,

1. No.
2. No.
3. depends on the magnitude of  the score, but tipically the lowest few
scores do not represent meaningfully different models.

reason for 1 and 2 is that modeller scores solely depend on the
violation of restrainst, adding or removing some of them will setup a
new relative pseudo-energy scale.

best wishes,
Andras


Dan Thomas Major wrote:
> 
> I have a few question concerning the energy terms computed by
> MODELLER:
> 1) Can the energy of a model computed with loop-modeling be compared
> to the energy of a model computed without?
> 2) Can the energy of a model with an additional constraint added (like
> a specific distance constraint) be compared to the energy of a model
> without that specific constraint?
> 3) What kind of energy difference can be considered to reflect a
> significant difference in the quality of models?
> 
> Sincerely,
> Dan Thomas Major
> 
> --
> Dan Thomas Major (at Dr. B. Fischer's lab)
> Bar-Ilan University
> 
> Phone: 972-3-5317785
> Fax:   972-3-5348730
> 
> 

-- 
    ,
Andras Fiser, PhD            # phone: (212) 327 7216
The Rockefeller University   # fax:   (212) 327 7540 
Box 270, 1230 York Avenue    # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras